2-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-[4-(o-tolylsulfanyl)-3-(trifluoromethyl)phenyl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one CAS Name: 2-[4-[(2-methylphenyl)thio]-3-(trifluoromethyl)phenyl]-1-(4-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: 2-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: 2-[4-(o-tolylthio)-3-(trifluoromethyl)phenyl]-1-(4-phenylpiperazino)prop-2-en-1-one Formula: C27H25F3N2OS MolecularWeight: 482.56041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C27H25F3N2OS/c1-19-8-6-7-11-24(19)34-25-13-12-21(18-23(25)27(28,29)30)20(2)26(33)32-16-14-31(15-17-32)22-9-4-3-5-10-22/h3-13,18H,2,14-17H2,1H3